4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

C10H16N4O2 — CID 136958290

IUPAC4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(N)C2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-16-8-9(12-6-13-10(8)15)14-4-2-3-7(11)5-14/h6-7H,2-5,11H2,1H3,(H,12,13,15)
InChIKeyKCOWXEZBAFQJLW-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.29
Rot. Bonds2

About 4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136958290) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136958290
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(N)C2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-16-8-9(12-6-13-10(8)15)14-4-2-3-7(11)5-14/h6-7H,2-5,11H2,1H3,(H,12,13,15)
InChIKeyKCOWXEZBAFQJLW-UHFFFAOYSA-N
XLogP-0.29
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136958290) is 4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCCC(N)C2)nc[nH]c1=O.
What is the InChIKey of 4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is KCOWXEZBAFQJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-16-8-9(12-6-13-10(8)15)14-4-2-3-7(11)5-14/h6-7H,2-5,11H2,1H3,(H,12,13,15).
What are the key properties of 4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136958290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).